SCHEMBL560129

SCHEMBL560129

Nc1cc(-c2ccccc2)c(N)c(N)c1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
HSD17B10 Q99714 3/20 0.52
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
BACE1 P56817 1/20 0.42
SMARCA2 P51531 2/20 0.42
SMARCA4 P51532 2/20 0.42
PBRM1 Q86U86 2/20 0.42
MAPT P10636 2/20 0.39
MAOA P21397 1/20 0.39
BRD4 O60885 1/20 0.39
NR1I2 O75469 1/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29367789 1.00 ALDH1A1 (0.52) ALDH1A1HSD17B10PDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL4521255 0.98 HSD17B10 (0.50) ALDH1A1HSD17B10PDE4APDE4BPDE4C
Methane SCHEMBL22720569 0.98 ALDH1A1 (0.50) ALDH1A1HSD17B10PDE4APDE4BPDE4C
Water SCHEMBL6229709 0.98 HSD17B10 (0.50) ALDH1A1HSD17B10PDE4APDE4BPDE4C
Hydrogen Sulfide SCHEMBL6229946 0.98 ALDH1A1 (0.50) ALDH1A1HSD17B10PDE4APDE4BPDE4C
SCHEMBL26698709 0.88 MEN1 (0.52) ALDH1A1HSD17B10PDE4APDE4BPDE4C
SCHEMBL24254917 0.87 ALDH1A1 (0.52) ALDH1A1HSD17B10BACE1SMARCA2SMARCA4
SCHEMBL29115742 0.82 HSD17B10 (0.48) ALDH1A1HSD17B10PDE4APDE4BPDE4C
SCHEMBL30697354 0.82 HSD17B10 (0.48) ALDH1A1HSD17B10PDE4APDE4BPDE4C
SCHEMBL4294691 0.81 TDP1 (0.46) ALDH1A1HSD17B10MAPTKDM4EMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 670 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120025545-A Polybenzimidazole polymer containing six-membered cycloalkanes and preparation method and application thereof 中国科学院大连化学物理研究所 2025-05-23 CN claimed
CN-119833664-A Preparation method of phosphoric acid/cystine functionalized MXene/polybenzimidazole composite high-temperature proton exchange membrane for high-temperature fuel cell 黑龙江大学 2025-04-15 CN claimed
CN-118666558-B Flexible aerogel heat-insulating building block and preparation method thereof 河南兴安新型建筑材料有限公司 2025-03-04 CN claimed
WO-2024196847-A2 STRONG POLYBENZIMIDAZOLE (PBI) GEL MEMBRANES WITH HIGH CONDUCTIVITY UNIVERSITY OF SOUTH CAROLINA (US) 2024-09-26 WO claimed
CN-118666558-A Flexible aerogel heat-insulating building block and preparation method thereof 河南兴安新型建筑材料有限公司 2024-09-20 CN claimed
CN-118507757-A Multi-quaternary ammonium salt grafted high-proton conductive polybenzimidazole proton exchange membrane 黑龙江大学 2024-08-16 CN claimed
CN-115863721-B Stabilizer for electrolyte of all-vanadium redox flow battery 复化能源科技(上海)有限公司 2024-07-12 CN claimed
CN-118325330-A Preparation method of low-dielectric cyanate resin based on hyperbranched structure 电子科技大学 2024-07-12 CN claimed
CN-115894913-B Method for synthesizing polybenzimidazole based on monomer dispersion process 上海四羿科技有限公司 2024-06-21 CN claimed
CN-115873242-B Preparation method of organic polymer based on hexaazanaphthalene and application of organic polymer as positive electrode material of water-based aluminum ion battery 安徽大学 2024-06-04 CN claimed
WO-2005063679-A1 PROCESS FOR THE PREPARATION OF HIGH QUALITY 3,3',4,4'-TETRAMINOBIPHENYL COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2005-07-14 WO claimed
US-6835854-B1 Oxidation of 3,3'-dichloro 4,4'-diaminobiphenyl (DCB), ammonolysis of the resulting 3,3'-dichloro-4,4'-dinitrobiphenyl (DCDNB) and reduction of 3,3'-diamino-4,4'-dinitrobiphenyl and treating with an alkali COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-12-28 US claimed
WO-2004033079-A2 PROTON CONDUCTING POLYMER MEMBRANE COMPRISING PHOSHPHONIC ACID GROUPS CONTAINING POLYAZOLES AND THE USE THEREOF IN FUEL CELLS PEMEAS GMBH (DE) 2004-04-22 WO claimed
EP-1054031-A2 Increasing the molecular weight and modification of condensation polymers Ciba SC Holding AG (CH) 2000-11-22 EP claimed
EP-0538850-B1 New polyurea resins and their preparation and use IHARA CHEMICAL IND CO (JP) 1997-01-22 EP claimed
US-5387725-A Chlorinating compounds having acidic protons with a perchloro-alkane and aqueous base in the presence of a tetraalkyl-ammonium hydroxide phase transfer catalyst THE DOW CHEMICAL COMPANY (US) 1995-02-07 US claimed
WO-1994012465-A1 POLYAMIDES AND POLYPYRROLONES FOR FLUID SEPARATION MEMBRANES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1994-06-09 WO claimed
US-5319058-A Improved heat resistance when polyisocyanate component is a combination of an aliphatic diisocyanate and a cyclic trimer of an aliphatic polyisocyanate IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1994-06-07 US claimed
EP-0538850-A2 New polyurea resins and their preparation and use IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 1993-04-28 EP claimed
EP-0047069-A1 Resin derived from acenaphthene and process for its production Coal Industry (Patents) Limited (GB) 1982-03-10 EP claimed